tetrafluoroboranuide; trimethyldisulfanium

• ChemBase ID: 99703
• Molecular Formular: C3H9BF4S2
• Molecular Mass: 196.0381728
• Monoisotopic Mass: 196.01748557
• SMILES: [S+](SC)(C)C.[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.CS[S+](C)C
• InChI: InChI=1S/C3H9S2.BF4/c1-4-5(2)3;2-1(3,4)5/h1-3H3;/q+1;-1
• InChIKey: LUOOXKXNWLQGLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; trimethyldisulfanium
• IUPAC Traditional name: trimethyldisulfanium tetrafluoroborate
• Synonyms: Dimethyl(methylthio)sulphonium tetrafluoroborate 97%; DMTSF; Dimethyl(methylthio)sulfonium tetrafluoroborate; 二甲基(甲硫代)锍四氟硼酸盐

Database IDs

• CAS Number: 5799-67-7
• MDL Number: MFCD00011806
• Beilstein Number: 3572194
• PubChem SID: 24857700; 162085960
• PubChem CID: 2737114

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89-92 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Linear Formula: CH3SS(CH3)2BF4

DETAILS

Sigma Aldrich - 294063

Packaging
1 g in glass bottle